[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-methylsulfanylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-methylsulfanylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H24N2O3S/c1-16(26-21(25)17-8-10-19(27-2)11-9-17)20(24)23-14-12-22(13-15-23)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3/t16-/m1/s1